8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C29H22F2N6O4 — CID 118142652

About 8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118142652) has the molecular formula C29H22F2N6O4 and a molecular weight of 556.53 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 118142652
• Molecular Formula: C29H22F2N6O4
• Molecular Weight: 556.53 g/mol
• Exact Mass: 556.17
• IUPAC Name: 8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1cnn(CCN2C(=O)c3ccccc3C2=O)c1
• InChI: InChI=1S/C29H22F2N6O4/c1-17-25(36-11-5-10-24(26(36)33-17)41-16-21-22(30)8-4-9-23(21)31)27(38)34-18-14-32-35(15-18)12-13-37-28(39)19-6-2-3-7-20(19)29(37)40/h2-11,14-15H,12-13,16H2,1H3,(H,34,38)
• InChIKey: MYZLDADBZKUCNT-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 110.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.53
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 118142652) is 8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1cnn(CCN2C(=O)c3ccccc3C2=O)c1.

What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is MYZLDADBZKUCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F2N6O4/c1-17-25(36-11-5-10-24(26(36)33-17)41-16-21-22(30)8-4-9-23(21)31)27(38)34-18-14-32-35(15-18)12-13-37-28(39)19-6-2-3-7-20(19)29(37)40/h2-11,14-15H,12-13,16H2,1H3,(H,34,38).

What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?

8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 556.53 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2,6-difluorophenyl)methoxy]-N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118142652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).